2-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine

C18H33NO2 — CID 116765919

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine
SMILESCCNC(CC1CC2CCC1C2)C1(OCC)CCOCC1
InChIInChI=1S/C18H33NO2/c1-3-19-17(13-16-12-14-5-6-15(16)11-14)18(21-4-2)7-9-20-10-8-18/h14-17,19H,3-13H2,1-2H3
InChIKeyDWLGYBMOXNNZSC-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.38
Rot. Bonds7

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine (PubChem CID 116765919) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine
PubChem CID116765919
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine
SMILESCCNC(CC1CC2CCC1C2)C1(OCC)CCOCC1
InChIInChI=1S/C18H33NO2/c1-3-19-17(13-16-12-14-5-6-15(16)11-14)18(21-4-2)7-9-20-10-8-18/h14-17,19H,3-13H2,1-2H3
InChIKeyDWLGYBMOXNNZSC-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine (CID 116765919) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine is CCNC(CC1CC2CCC1C2)C1(OCC)CCOCC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine?
The InChIKey is DWLGYBMOXNNZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-3-19-17(13-16-12-14-5-6-15(16)11-14)18(21-4-2)7-9-20-10-8-18/h14-17,19H,3-13H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine has a molecular weight of 295.47 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(4-ethoxyoxan-4-yl)-N-ethylethanamine is sourced from PubChem (CID 116765919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).